4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol

C24H30O4 — CID 54148992

IUPAC4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol
SMILESCCC(=CCC(O)C1CC1)c1cccc(OCc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C24H30O4/c1-2-18(10-11-24(27)19-8-9-19)20-4-3-5-23(13-20)28-16-17-6-7-21(14-25)22(12-17)15-26/h3-7,10,12-13,19,24-27H,2,8-9,11,14-16H2,1H3
InChIKeyOGKHZMTYYOFFPN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.20
Rot. Bonds10

About 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol

4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol (PubChem CID 54148992) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol.

Molecular Properties

Compound Name4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol
PubChem CID54148992
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol
SMILESCCC(=CCC(O)C1CC1)c1cccc(OCc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C24H30O4/c1-2-18(10-11-24(27)19-8-9-19)20-4-3-5-23(13-20)28-16-17-6-7-21(14-25)22(12-17)15-26/h3-7,10,12-13,19,24-27H,2,8-9,11,14-16H2,1H3
InChIKeyOGKHZMTYYOFFPN-UHFFFAOYSA-N
XLogP4.20
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol with MolForge

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Related Compounds

[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol
CID 141024330
7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethylocta-4,6-dien-3-ol
CID 57058058
(Z)-7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethyloct-6-en-4-yn-3-ol
CID 87435429
1-[(E)-1-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]ethylideneamino]oxy-2-methylpropan-2-ol
CID 87950408
ethyl 2-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]oct-4-enoate
CID 141024320
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]phenyl]-3-ethyl-4-methylnona-4,6-dien-3-ol
CID 91285718
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]phenyl]-3-ethylnona-4,6-dien-3-ol
CID 54086470
(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
CID 156844165
4-[[3-[(3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-3-yl]phenoxy]methyl]phthalic acid
CID 87950019
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol?
The IUPAC name of 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol (CID 54148992) is 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol.
What is the SMILES notation for 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol?
The canonical SMILES for 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol is CCC(=CCC(O)C1CC1)c1cccc(OCc2ccc(CO)c(CO)c2)c1.
What is the InChIKey of 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol?
The InChIKey is OGKHZMTYYOFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-2-18(10-11-24(27)19-8-9-19)20-4-3-5-23(13-20)28-16-17-6-7-21(14-25)22(12-17)15-26/h3-7,10,12-13,19,24-27H,2,8-9,11,14-16H2,1H3.
What are the key properties of 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol?
4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol has a molecular weight of 382.50 g/mol, XLogP of 4.20, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol is sourced from PubChem (CID 54148992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).