[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol

C30H24ClNO — CID 174578250

IUPAC[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol
SMILESOCc1ncccc1C1=C(c2ccc(Cl)cc2)c2c(ccc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C30H24ClNO/c31-22-12-7-20(8-13-22)30-27(25-6-3-17-32-28(25)18-33)16-11-21-10-14-24-23-5-2-1-4-19(23)9-15-26(24)29(21)30/h1-8,10,12-14,17,33H,9,11,15-16,18H2
InChIKeyZGXGKEBVEHLSJZ-UHFFFAOYSA-N
MW449.98 g/mol
LogP6.90
Rot. Bonds3

About [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol

[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol (PubChem CID 174578250) has the molecular formula C30H24ClNO and a molecular weight of 449.98 g/mol. Its IUPAC name is [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol
PubChem CID174578250
Molecular FormulaC30H24ClNO
Molecular Weight449.98 g/mol
Exact Mass449.15
IUPAC Name[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol
SMILESOCc1ncccc1C1=C(c2ccc(Cl)cc2)c2c(ccc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C30H24ClNO/c31-22-12-7-20(8-13-22)30-27(25-6-3-17-32-28(25)18-33)16-11-21-10-14-24-23-5-2-1-4-19(23)9-15-26(24)29(21)30/h1-8,10,12-14,17,33H,9,11,15-16,18H2
InChIKeyZGXGKEBVEHLSJZ-UHFFFAOYSA-N
XLogP6.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride
CID 175234343
3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine
CID 57322470
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
CID 142556602
4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312
2-(1,2,3,4,5,6-hexahydrochrysen-2-yl)pyrimidine
CID 174535292
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883
2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
CID 174431385
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636826
4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
CID 16641470
1-[4-(4-chlorophenyl)phenyl]-3-[3-(4-phenyl-1,2,3,6-tetrahydrochrysen-1-yl)-2-pyridinyl]propan-1-ol
CID 174419340

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol (CID 174578250) is [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol is OCc1ncccc1C1=C(c2ccc(Cl)cc2)c2c(ccc3c2CCc2ccccc2-3)CC1.
What is the InChIKey of [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol?
The InChIKey is ZGXGKEBVEHLSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO/c31-22-12-7-20(8-13-22)30-27(25-6-3-17-32-28(25)18-33)16-11-21-10-14-24-23-5-2-1-4-19(23)9-15-26(24)29(21)30/h1-8,10,12-14,17,33H,9,11,15-16,18H2.
What are the key properties of [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol?
[3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol has a molecular weight of 449.98 g/mol, XLogP of 6.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-chlorophenyl)-1,2,5,6-tetrahydrochrysen-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 174578250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).