[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol

C36H30O3 — CID 118344089

IUPAC[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol
SMILESCOc1cc(C2(CO)c3ccccc3-c3ccccc32)c(C)cc1C1(CO)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H30O3/c1-23-19-33(36(22-38)30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)34(39-2)20-32(23)35(21-37)28-15-7-3-11-24(28)25-12-4-8-16-29(25)35/h3-20,37-38H,21-22H2,1-2H3
InChIKeyJLYUYPVQOUZKKT-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.62
Rot. Bonds5

About [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol

[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol (PubChem CID 118344089) has the molecular formula C36H30O3 and a molecular weight of 510.63 g/mol. Its IUPAC name is [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol.

Molecular Properties

Compound Name[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol
PubChem CID118344089
Molecular FormulaC36H30O3
Molecular Weight510.63 g/mol
Exact Mass510.22
IUPAC Name[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol
SMILESCOc1cc(C2(CO)c3ccccc3-c3ccccc32)c(C)cc1C1(CO)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H30O3/c1-23-19-33(36(22-38)30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)34(39-2)20-32(23)35(21-37)28-15-7-3-11-24(28)25-12-4-8-16-29(25)35/h3-20,37-38H,21-22H2,1-2H3
InChIKeyJLYUYPVQOUZKKT-UHFFFAOYSA-N
XLogP6.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol with MolForge

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Related Compounds

Selaginpulvilin L
CID 76283663
Selaginpulvilin O
CID 137628497
Selaginpulvilin N
CID 137628530
Selaginpulvilin T
CID 137628440
Selaginpulvilin Q
CID 137628532
Selaginpulvilin R
CID 137628551
Selaginpulvilin P
CID 137628564
Selaginpulvilin M
CID 137628580
Selaginpulvilin S
CID 137628587
(3S,8S,9S,10R,13S,14S,16R,17S)-16-(2,5-dimethoxyphenyl)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11568717
(8R,9S,13S,14S,17R)-13-methyl-17-[(3-phenylmethoxyphenyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 54769376
(3R,4S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-[(4-phenylmethoxyphenyl)methyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67882796

Frequently Asked Questions

What is the IUPAC name of [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol?
The IUPAC name of [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol (CID 118344089) is [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol.
What is the SMILES notation for [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol?
The canonical SMILES for [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol is COc1cc(C2(CO)c3ccccc3-c3ccccc32)c(C)cc1C1(CO)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol?
The InChIKey is JLYUYPVQOUZKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O3/c1-23-19-33(36(22-38)30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)34(39-2)20-32(23)35(21-37)28-15-7-3-11-24(28)25-12-4-8-16-29(25)35/h3-20,37-38H,21-22H2,1-2H3.
What are the key properties of [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol?
[9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol has a molecular weight of 510.63 g/mol, XLogP of 6.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-[9-(hydroxymethyl)fluoren-9-yl]-5-methoxy-2-methylphenyl]fluoren-9-yl]methanol is sourced from PubChem (CID 118344089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).