4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol

C28H28O2 — CID 139964893

IUPAC4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
SMILESCC1=C(C)C(c2ccccc2-c2cc(OCc3ccccc3)ccc2O)C(C)=C1C
InChIInChI=1S/C28H28O2/c1-18-19(2)21(4)28(20(18)3)25-13-9-8-12-24(25)26-16-23(14-15-27(26)29)30-17-22-10-6-5-7-11-22/h5-16,28-29H,17H2,1-4H3
InChIKeyNCVKJWBBXQYBGS-UHFFFAOYSA-N
MW396.53 g/mol
LogP7.41
Rot. Bonds5

About 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol

4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol (PubChem CID 139964893) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol.

Molecular Properties

Compound Name4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
PubChem CID139964893
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
SMILESCC1=C(C)C(c2ccccc2-c2cc(OCc3ccccc3)ccc2O)C(C)=C1C
InChIInChI=1S/C28H28O2/c1-18-19(2)21(4)28(20(18)3)25-13-9-8-12-24(25)26-16-23(14-15-27(26)29)30-17-22-10-6-5-7-11-22/h5-16,28-29H,17H2,1-4H3
InChIKeyNCVKJWBBXQYBGS-UHFFFAOYSA-N
XLogP7.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-phenyl-5-phenylmethoxyphenol
CID 123808909
phenoxymethylbenzene;2-phenylphenol
CID 159234068
1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol
CID 139965297
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
CID 170835359
3-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]naphthalen-2-ol
CID 139964827
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol
CID 20749744
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
1-O-(9H-fluoren-9-ylmethyl) 4-O-[(4-phenylmethoxyphenyl)methyl] piperazine-1,4-dicarboxylate
CID 69140720
2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The IUPAC name of 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol (CID 139964893) is 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol.
What is the SMILES notation for 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The canonical SMILES for 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol is CC1=C(C)C(c2ccccc2-c2cc(OCc3ccccc3)ccc2O)C(C)=C1C.
What is the InChIKey of 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
The InChIKey is NCVKJWBBXQYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2/c1-18-19(2)21(4)28(20(18)3)25-13-9-8-12-24(25)26-16-23(14-15-27(26)29)30-17-22-10-6-5-7-11-22/h5-16,28-29H,17H2,1-4H3.
What are the key properties of 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol?
4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol has a molecular weight of 396.53 g/mol, XLogP of 7.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol is sourced from PubChem (CID 139964893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).