4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol

C19H18O2 — CID 121464032

IUPAC4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol
SMILESCc1cc(C2=CCC(O)C=C2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C19H18O2/c1-13-12-16(14-2-7-17(20)8-3-14)6-11-19(13)15-4-9-18(21)10-5-15/h2-7,9-12,17,20-21H,8H2,1H3
InChIKeyDFBXTSFGPTUGLY-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol

4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol (PubChem CID 121464032) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol
PubChem CID121464032
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol
SMILESCc1cc(C2=CCC(O)C=C2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C19H18O2/c1-13-12-16(14-2-7-17(20)8-3-14)6-11-19(13)15-4-9-18(21)10-5-15/h2-7,9-12,17,20-21H,8H2,1H3
InChIKeyDFBXTSFGPTUGLY-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol?
The IUPAC name of 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol (CID 121464032) is 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol?
The canonical SMILES for 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol is Cc1cc(C2=CCC(O)C=C2)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol?
The InChIKey is DFBXTSFGPTUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-13-12-16(14-2-7-17(20)8-3-14)6-11-19(13)15-4-9-18(21)10-5-15/h2-7,9-12,17,20-21H,8H2,1H3.
What are the key properties of 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol?
4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol has a molecular weight of 278.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-methylphenyl]phenol is sourced from PubChem (CID 121464032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).