[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol

C25H30O2 — CID 59318540

IUPAC[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3
InChIKeyWRJBZTQEIYEKRN-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.49
Rot. Bonds4

About [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol

[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol (PubChem CID 59318540) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
PubChem CID59318540
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3
InChIKeyWRJBZTQEIYEKRN-UHFFFAOYSA-N
XLogP5.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-Dimethyl-heptyl)-2''-methoxy-biphenyl-2-ol
CID 11290338
cis-(1R,3S)-3-[2-methoxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-ol
CID 49863973
(1S,2R,11R,14S,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol
CID 11384395
4-(1,1-Dimethyl-heptyl)-3''-methoxy-biphenyl-2-ol
CID 44431961
cis-(1R,3S)-3-[2-methoxy-4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 46918944
trans-(1S,3S)-3-[2-methoxy-4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 49863580
[3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-6H-benzo[c]chromen-9-yl]-methanol
CID 10546891
Flabellinol
CID 11304872
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Flavidulol B
CID 14139257
[3-(1,1-Dimethyl-butyl)-6,6-dimethyl-6H-benzo[c]chromen-9-yl]-methanol
CID 10687450
2-Benzyl-5-methoxy-naphthalen-1-ol
CID 15617881

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The IUPAC name of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol (CID 59318540) is [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol.
What is the SMILES notation for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The canonical SMILES for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol is COc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The InChIKey is WRJBZTQEIYEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3.
What are the key properties of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol has a molecular weight of 362.51 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol is sourced from PubChem (CID 59318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).